SCHEMBL4528009

SCHEMBL4528009

O=C(O)CN(CC(=O)OCCCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
FFAR1 O14842 2/20 0.48
CTDSP1 Q9GZU7 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
APOBEC3A P31941 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
MAPT P10636 1/20 0.46
CYP2D6 P10635 1/20 0.44
CHRM5 P08912 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17879675 0.84 CA1 (0.57) LMNASMN1; SMN2NPC1RECQLRAB9A
SCHEMBL13681072 0.82 TDP1 (0.48) SMN1; SMN2ALDH1A1TDP1CA1CA2
SCHEMBL13603874 0.82 TSHR (0.46) LMNASMN1; SMN2ALDH1A1TDP1CA1
SCHEMBL13603876 0.82 ALDH1A1 (0.54) LMNAALDH1A1TDP1KMT2ACA1
SCHEMBL13603875 0.82 TDP1 (0.44) SMN1; SMN2RECQLALDH1A1TDP1CA1
SCHEMBL13611308 0.82 PLA2G2A (0.60) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14364104 0.81 PLA2G2A (0.48) LMNASMN1; SMN2ALDH1A1TDP1CA1
SCHEMBL13681077 0.80 THRB (0.50) SMN1; SMN2ALDH1A1TDP1KDM4EMEN1
SCHEMBL13681078 0.80 THRB (0.50) ALDH1A1TDP1CA1CA2
SCHEMBL10525505 0.79 TSHR (0.51) LMNASMN1; SMN2NPC1RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA LMNA 3083/4885SMN1; SMN2 3046/4885NPC1 1693/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.